SCHEMBL27943808

SCHEMBL27943808

CC(=O)c1ccnc(CCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SYK P43405 7/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ INCENP Q9NQS7 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ KDM5C P41229 3/20 0.36
▸ KDM4C Q9H3R0 3/20 0.36
▸ KDM4A O75164 2/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ KDM4B O94953 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6637823 0.84 TSHR (0.47) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL24690842 0.80 PKM (0.46) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL18415056 0.80 CYP1A2 (0.61) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL12640033 0.79 CYP1A2 (0.42) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL12734425 0.76 SYK (0.44) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL12640104 0.76 MEN1 (0.46) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL22214937 0.76 TSHR (0.45) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL6643292 0.75 TSHR (0.40) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL28298258 0.75 CYP1A2 (0.39) TSHRKDM4ELMNACYP3A4CYP1A2
SCHEMBL19676370 0.72 KDM5B (0.50) TSHRKDM4ELMNACYP3A4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103638533-B A kind of preparation method of the hypotoxic magnetic Nano rod of targeting HIF 江苏大学 2016-06-15 — — CN claimed
CN-103638533-A Preparation method of magnetic nanorod with targeted HIF (hypoxia inducible factor) low toxicity UNIV JIANGSU 2014-03-19 — — CN claimed
CN-103638533-B A kind of preparation method of the hypotoxic magnetic Nano rod of targeting HIF 江苏大学 2016-06-15 — — CN disclosed
CN-103638533-B A kind of preparation method of the hypotoxic magnetic Nano rod of targeting HIF 江苏大学 2016-06-15 — — CN disclosed
CN-103638533-A Preparation method of magnetic nanorod with targeted HIF (hypoxia inducible factor) low toxicity UNIV JIANGSU 2014-03-19 — — CN disclosed
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